REMARK Name = BDB009468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.758 1.907 0.365 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -2.078 3.070 1.058 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -1.517 4.246 0.733 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.967 3.021 2.125 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.550 1.801 2.487 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.255 0.622 1.776 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.336 0.680 0.716 0.00 0.00 +0.020 A ENDROOT BRANCH 1 12 ATOM 8 C LIG 1 3.452 1.558 -0.227 0.00 0.00 +0.079 C ATOM 9 C LIG 1 2.705 1.021 -1.459 0.00 0.00 +0.041 C ATOM 10 C LIG 1 1.416 1.793 -1.701 0.00 0.00 +0.110 C ATOM 11 N LIG 1 0.516 1.725 -0.551 0.00 0.00 -0.297 N ATOM 12 C LIG 1 -0.836 1.978 -0.774 0.00 0.00 +0.249 C ATOM 13 O LIG 1 -1.319 2.233 -1.874 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 1.112 1.449 0.759 0.00 0.00 +0.110 C ATOM 15 C LIG 1 2.506 2.054 0.875 0.00 0.00 +0.041 C BRANCH 8 17 ATOM 16 C LIG 1 5.580 0.305 -0.289 0.00 0.00 +0.401 C ATOM 17 N LIG 1 4.368 0.549 0.287 0.00 0.00 -0.278 N ATOM 18 H LIG 1 4.028 -0.203 0.872 0.00 0.00 +0.152 HD ATOM 19 O LIG 1 6.088 0.984 -1.165 0.00 0.00 -0.226 OA BRANCH 16 20 ATOM 20 O LIG 1 6.099 -0.817 0.262 0.00 0.00 -0.445 OA BRANCH 20 22 ATOM 21 C LIG 1 7.366 -1.726 -1.646 0.00 0.00 +0.055 C ATOM 22 C LIG 1 7.390 -1.321 -0.168 0.00 0.00 +0.107 C ATOM 23 C LIG 1 7.619 -2.582 0.681 0.00 0.00 +0.055 C ATOM 24 C LIG 1 8.509 -0.317 0.135 0.00 0.00 +0.055 C ENDBRANCH 20 22 ENDBRANCH 16 20 ENDBRANCH 8 17 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 -3.895 -0.685 2.195 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -4.329 -1.573 1.036 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.559 -1.201 0.252 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -6.273 -0.035 0.519 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -5.702 0.719 0.897 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -7.271 0.441 -0.439 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -8.076 -0.746 -0.964 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -7.153 -1.822 -1.555 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -5.928 -2.059 -0.713 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -5.123 -3.267 -0.993 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -5.437 -4.061 -1.872 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.002 -3.436 -0.222 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -3.439 -4.262 -0.399 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -3.599 -2.624 0.794 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 6